SCHEMBL11114442

SCHEMBL11114442

CN/C=N\c1ccc(Cl)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
MAPK1 P28482 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL11114443 1.00 ALDH1A1 (0.43) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL11153211 1.00 ALDH1A1 (0.43) ALDH1A1HPGDTSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL11536177 0.98 ALDH1A1 (0.42) ALDH1A1HPGDTSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL11536173 0.98 ALDH1A1 (0.42) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL11142842 0.85 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EMAPTCYP3A4
SCHEMBL11420876 0.84 CYP2C9 (0.58) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL11144559 0.83 LMNA (0.43) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL11144562 0.83 LMNA (0.43) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL11454683 0.81 CYP3A4 (0.56) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL6067530 0.81 CYP3A4 (0.56) ALDH1A1HPGDTSHRHSD17B10KDM4E

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
US-4425361-A INSECTICIDES, MITICIDES CIBA-GEIGY CORPORATION (US) 1984-01-10 US disclosed