SCHEMBL28040145

SCHEMBL28040145

CC(Cc1ccc(F)cc1)(Cc1scc2ccccc12)C(=O)Nc1cccc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
KDR P35968 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL28040533 0.87 KMT2A (0.47) SLC40A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL28040537 0.77 PPARA (0.38) KMT2ASMN1; SMN2KDM4ERAB9AALDH1A1
SCHEMBL28040727 0.76 SMN1; SMN2 (0.36) KMT2AMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL28818995 0.76 KDR (0.44) SLC40A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL28475373 0.72 KMT2A (0.53) SLC40A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8102961 0.69 TDP1 (0.66) SLC40A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL28013840 0.68 POLB (0.47) SLC40A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL28040062 0.68 LMNA (0.33) KMT2ASMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL28160493 0.68 POLB (0.46) SLC40A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1859001 0.66 SLC40A1 (0.70) SLC40A1KMT2AMEN1MAPTSMN1; 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
CN-105175392-A Carboxylic acid compounds containing thiophene structures and amide compounds containing thiophene structures and preparation method for carboxylic acid compounds and amide compounds UNIV HUNAN 2015-12-23 CN disclosed