SCHEMBL11535524

SCHEMBL11535524

Cc1nnsc1C(=O)NCc1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
GAA P10253 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 2/20 0.53
HPGD P15428 4/20 0.53
CXCR4 P61073 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.51
CHRM4 P08173 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
USP2 O75604 1/20 0.49
HSD17B13 Q7Z5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL12852295 0.86 GAA (0.57) ATMGAATDP1LMNAHPGD
SCHEMBL12852314 0.85 ATM (0.84) ATMGAATDP1LMNACXCR4
SCHEMBL11536699 0.84 ATM (0.67) ATMGAATDP1LMNAHPGD
SCHEMBL11535590 0.82 HPGD (0.58) ATMGAATDP1LMNAHPGD
SCHEMBL11538782 0.81 LMNA (0.62) ATMGAATDP1LMNACXCR4
SCHEMBL12852303 0.80 HPGD (0.47) ATMLMNAHPGDALDH1A1MAPT
SCHEMBL12682799 0.80 ATM (1.00) ATMLMNACXCR4MAPTPOLB
SCHEMBL11536219 0.78 CXCR4 (0.64) ATMLMNACXCR4MAPTPOLB
SCHEMBL11535652 0.75 CXCR4 (0.60) ATMGAATDP1LMNAHPGD
SCHEMBL24441691 0.74 HSD17B13 (0.60) GAATDP1LMNAHPGDALDH1A1

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-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 US claimed
US-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 US disclosed