SCHEMBL6274384

SCHEMBL6274384

O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 3/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 2/20 0.58
USP2 O75604 1/20 0.58
TSHR P16473 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTT P42858 2/20 0.57

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
SCHEMBL6279510 0.89 KMT2A (0.73) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL1702494 0.88 ALDH1A1 (0.64) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL6278534 0.86 ALDH1A1 (0.65) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL13547708 0.86 ALDH1A1 (0.62) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6278157 0.86 KMT2A (0.66) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6279104 0.85 ALDH1A1 (0.70) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6274361 0.84 ALDH1A1 (0.70) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL1702962 0.84 ALDH1A1 (0.66) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL13547675 0.83 ALDH1A1 (0.76) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6280252 0.81 MEN1 (0.67) ALDH1A1MEN1KMT2APOLBSMN1; SMN2

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-2005115147-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2005-12-08 WO disclosed