SCHEMBL8701010

SCHEMBL8701010

Oc1c(N/N=N/c2ccccc2)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
TDP1 Q9NUW8 3/20 0.46
CYP1A1 P04798 1/20 0.46
TSHR P16473 1/20 0.46
CYP1B1 Q16678 1/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
NPC1 O15118 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
LMNA P02545 1/20 0.43
ALPL P05186 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALPI P09923 1/20 0.43

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
SCHEMBL8701015 1.00 THRB (0.49) THRBTDP1CYP1A1TSHRCYP1B1
Hydrochloric Acid SCHEMBL5846986 0.81 TSHR (0.50) THRBTDP1CYP1A1TSHRCYP1B1
SCHEMBL1572609 0.80 TSHR (0.52) THRBTDP1CYP1A1TSHRCYP1B1
SCHEMBL1348095 0.80 TSHR (0.52) THRBTDP1CYP1A1TSHRCYP1B1
SCHEMBL29176235 0.78 CDC25B (0.49) THRBTDP1KMT2AMEN1NPC1
SCHEMBL29093547 0.76 PTPN22 (0.48) TDP1TSHRKMT2AMEN1NPC1
SCHEMBL9363554 0.75 CYP2D6 (0.46) THRBTDP1CYP1A1TSHRCYP1B1
SCHEMBL20152833 0.74 ALDH1A1 (0.43) KMT2AMEN1NPC1L3MBTL1RAB9A
Phenol SCHEMBL30182897 0.74 LDHA (0.45) THRBTDP1KMT2AMEN1L3MBTL1
SCHEMBL564010 0.73 KMT2A (0.78) THRBTDP1TSHRKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5779739-A Dye mixtures of fiber-reactive azo dyes and their use for dyeing hydroxy-and/or carboxamido-containing fiber material HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0399411-A1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-28 EP disclosed
EP-0381133-A1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-08 EP disclosed