SCHEMBL8628792

SCHEMBL8628792

COc1cc(C(N)=O)cc(OC)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
HTT P42858 2/20 0.58
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
BPTF Q12830 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 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
SCHEMBL20889112 0.89 HTT (0.51) TSHRHTTAPOBEC3AAPOBEC3GBPTF
SCHEMBL19448909 0.84 TSHR (0.47) TSHRHTTAPOBEC3AAPOBEC3GBPTF
SCHEMBL19436450 0.83 MAPT (0.50) TSHRHTTAPOBEC3AAPOBEC3GMAPK1
SCHEMBL14045969 0.81 ALDH1A1 (0.66) TSHRHTTAPOBEC3AAPOBEC3GBPTF
SCHEMBL987150 0.81 LMNA (0.45) TSHRHTTLMNACYP1A2CYP3A4
SCHEMBL502534 0.81 PKM (0.67) TSHRHTTAPOBEC3AAPOBEC3GBPTF
SCHEMBL1004561 0.81 TSHR (0.59) TSHRHTTAPOBEC3AAPOBEC3GBPTF
SCHEMBL12526814 0.81 LMNA (0.67) TSHRHTTLMNACYP1A2CYP3A4
SCHEMBL11850840 0.81 TSHR (0.59) TSHRHTTAPOBEC3AAPOBEC3GBPTF
SCHEMBL11594251 0.81 CA12 (0.67) TSHRHTTMAPK1LMNACYP1A2

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-5756691-A YELLOW HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed