SCHEMBL27938726

SCHEMBL27938726

COc1cccc(-n2nc(C)c(Cl)c2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.48
SMO Q99835 1/20 0.47
MAP4K4 O95819 1/20 0.46
AURKB Q96GD4 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPBWR1 P48145 3/20 0.46
MCHR1 Q99705 2/20 0.46
P2RX7 Q99572 1/20 0.46

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
SCHEMBL25540605 0.83 ALDH1A1 (0.54) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL20502124 0.81 ALDH1A1 (0.62) KMT2ASMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL23558009 0.81 SMN1; SMN2 (0.65) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL16872784 0.81 KMT2A (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL30300413 0.80 HSD17B2 (0.57) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL21879453 0.80 HSD17B2 (0.57) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL27938655 0.79 SMO (0.55) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL12770947 0.79 MEN1 (0.65) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL20213726 0.78 MAPT (0.69) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL21208579 0.77 SMN1; SMN2 (0.57) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA

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-103339112-A Topical antifungal agent MEIJI SEIKA PHARMA CO LTD 2013-10-02 CN disclosed