SCHEMBL2944879

SCHEMBL2944879

[CH]N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
AOC3 Q16853 1/20 0.50
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PYCR1 P32322 1/20 0.46
CALM1 P0DP23 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA2 P00918 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
CYP2C19 P33261 1/20 0.43
MGLL Q99685 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5462061 0.82 TSHR (0.62) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL3271148 0.75 TSHR (0.60) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL134524 0.75 TSHR (0.60) ALDH1A1TSHRAOC3CALM1CA2
Hydrochloric Acid SCHEMBL2137949 0.73 CNR2 (0.58) ALDH1A1TSHRAOC3LMNACALM1
Bromide SCHEMBL6760453 0.73 CNR2 (0.58) ALDH1A1TSHRAOC3CALM1CA2
Bromide SCHEMBL11212819 0.73 CNR2 (0.58) ALDH1A1TSHRAOC3CALM1CA2
Ammonia Solution, Strong SCHEMBL1348044 0.73 CNR2 (0.58) ALDH1A1TSHRAOC3CALM1CA2
SCHEMBL12049793 0.73 CNR2 (0.64) ALDH1A1TSHRAOC3CALM1CA2
Fluoride SCHEMBL633879 0.73 CNR2 (0.58) ALDH1A1TSHRAOC3CALM1CA2
Water SCHEMBL4610445 0.73 CNR2 (0.58) ALDH1A1TSHRAOC3CALM1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038181-A1 CHEMICALLY SUBSTITUTED THERMOSENSITIVE PROBES AND COFACTORS FOR HOT START LIGATION TRILINK BIOTECHNOLOGIES, INC. 2014-02-06 US claimed
WO-2012094343-A1 CHEMICALLY SUBSTITUTED THERMOSENSITIVE PROBES AND COFACTORS FOR HOT START LIGATION TRILINK BIOTECHNOLOGIES (US) 2012-07-12 WO claimed
EP-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 EP disclosed
EP-4025253-A1 DRUG ANTIBODY CONJUGATES Pharma Mar S.A. (ES) 2022-07-13 EP disclosed
WO-2021214126-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2021-10-28 WO disclosed
WO-2021043951-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2021-03-11 WO disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO disclosed
WO-2010149688-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2010-12-29 WO disclosed
EP-1485707-A4 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS INC (US) 2005-11-16 EP disclosed
EP-1485707-A2 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK Pharmaceuticals, Inc. (US) 2004-12-15 EP disclosed
WO-2003092581-A9 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS INC (US) 2004-02-19 WO disclosed
WO-2003092581-A2 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed