SCHEMBL7396129

SCHEMBL7396129

CSc1nnnn1-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 3/20 0.50
KMT2A Q03164 4/20 0.49
ATM Q13315 1/20 0.49
TSHR P16473 3/20 0.49
PTGS2 P35354 2/20 0.49
LMNA P02545 3/20 0.48
PKM P14618 1/20 0.48
XBP1 P17861 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
PAX8 Q06710 1/20 0.48
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 1/20 0.47
JAK2 O60674 1/20 0.47
USP2 O75604 1/20 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
SCHEMBL8438530 0.82 SMN1; SMN2 (0.67) ALDH1A1HPGDHTTPOLBSMN1; SMN2
SCHEMBL6930563 0.81 ALDH1A1 (0.67) ALDH1A1HPGDHTTPOLBSMN1; SMN2
SCHEMBL15790775 0.76 LMNA (0.54) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL24038505 0.73 SMN1; SMN2 (0.60) ALDH1A1HPGDHTTPOLBSMN1; SMN2
SCHEMBL8048128 0.72 ALDH1A1 (0.49) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL8351721 0.72 ALDH1A1 (0.57) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL10664251 0.71 SMN1; SMN2 (0.70) ALDH1A1HPGDHTTPOLBSMN1; SMN2
SCHEMBL15337450 0.71 SMN1; SMN2 (0.70) ALDH1A1HPGDHTTPOLBSMN1; SMN2
SCHEMBL5213845 0.70 ALDH1A1 (0.52) ALDH1A1HPGDHTTPOLBSMN1; SMN2
SCHEMBL7546978 0.70 PTGS2 (0.62) ALDH1A1HPGDHTTSMN1; SMN2MAPT

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
EP-1150972-A1 TRIAZOLE AND TETRAZOLE DERIVATIVES, AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2001-11-07 EP disclosed
WO-2000046220-A1 TRIAZOLE AND TETRAZOLE DERIVATIVES, AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-08-10 WO disclosed