SCHEMBL9710327

SCHEMBL9710327

CCCCc1ncsc1Cc1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
SKP2 Q13309 1/20 0.34

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
SCHEMBL9710262 0.91 TSHR (0.39) MAPTCYP3A4ALDH1A1TSHRTDP1
Propionic Acid SCHEMBL9710382 0.82 COPS5 (0.36) MAPTCYP3A4ALDH1A1TSHRTDP1
SCHEMBL9457572 0.72 KDM4E (0.43) MAPTCYP3A4ALDH1A1TSHRTDP1
SCHEMBL1250888 0.72 MEN1 (0.37) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL8771395 0.71 ALDH1A1 (0.61) MAPTCYP3A4ALDH1A1TSHRTDP1
SCHEMBL9457564 0.71 KDM4E (0.40) MAPTCYP3A4ALDH1A1TSHRTDP1
SCHEMBL111607 0.69 GFER (0.62) MAPTCYP3A4ALDH1A1TSHRMEN1
Hydrochloric Acid SCHEMBL2857384 0.67 MAOB (0.61) MAPTCYP3A4ALDH1A1MEN1RAB9A
Iodide SCHEMBL31425562 0.67 HTR2A (0.59) MAPTCYP3A4ALDH1A1TSHRMEN1
SCHEMBL22701211 0.67 CYP1A2 (0.36) ALDH1A1TDP1MEN1KMT2AKDM4E

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
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed