SCHEMBL22019388

SCHEMBL22019388

CCn1c(SC2(C(N)O)CC2)nnc1-c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
LMNA P02545 5/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 6/20 0.52
RAB9A P51151 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 2/20 0.47

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
SCHEMBL22046600 0.81 ALDH1A1 (0.56) TSHRLMNAHTTALDH1A1RAB9A
SCHEMBL22019394 0.79 ALDH1A1 (0.54) TSHRLMNAHTTALDH1A1RAB9A
SCHEMBL22018494 0.78 ALDH1A1 (0.56) TSHRLMNAHTTALDH1A1RAB9A
SCHEMBL1544091 0.76 KDM4E (0.68) TSHRLMNAHTTALDH1A1RAB9A
SCHEMBL22019389 0.75 ALDH1A1 (0.58) TSHRLMNAHTTALDH1A1RAB9A
SCHEMBL6249724 0.74 LMNA (0.65) TSHRLMNAHTTALDH1A1RAB9A
SCHEMBL13832229 0.73 ALDH1A1 (0.57) TSHRLMNAHTTALDH1A1RAB9A
SCHEMBL22019391 0.72 ALDH1A1 (0.74) TSHRLMNAHTTALDH1A1RAB9A
SCHEMBL15983280 0.72 ALDH1A1 (0.58) TSHRLMNAHTTALDH1A1RAB9A
SCHEMBL13831389 0.72 ALDH1A1 (0.55) TSHRLMNAHTTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed