SCHEMBL10361111

SCHEMBL10361111

CC(Oc1ncn(-c2ccc(Cl)cc2Cl)n1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
LMNA P02545 1/20 0.41
CNR2 P34972 3/20 0.40
CNR1 P21554 3/20 0.40
NOTUM Q6P988 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
PTGDR Q13258 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
MAP4K4 O95819 2/20 0.38
RPA1 P27694 1/20 0.38
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL10361135 0.88 CNR1 (0.41) TSHRLMNACNR2CNR1MAPT
SCHEMBL10360709 0.87 CNR2 (0.39) LMNACNR2CNR1NOTUM
SCHEMBL10360670 0.86 GABRA2 (0.44) CNR2CNR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10361114 0.85 MAPT (0.39) TSHRHTR2AHTR2CHTR2BNOTUM
SCHEMBL10360696 0.82 MAPT (0.43) TSHRHTR2AHTR2CHTR2BNOTUM
SCHEMBL10360682 0.81 MAPT (0.43) TSHRHTR2AHTR2CHTR2BNOTUM
SCHEMBL10360745 0.81 TSHR (0.40) TSHRHTR2AHTR2CHTR2BNOTUM
SCHEMBL10361327 0.79 NOTUM (0.55) TSHRHTR2AHTR2CHTR2BCNR2
SCHEMBL10360329 0.76 TDP1 (0.38) PPARGALDH1A1
SCHEMBL10361131 0.76 TDP1 (0.38) PTGDRMAP4K4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931083-A Plant growth regulating triazoles ELI LILLY AND COMPANY (US) 1990-06-05 US disclosed
EP-0227284-A1 Plant Growth regulating triazoles ELI LILLY AND COMPANY (US) 1987-07-01 EP disclosed