SCHEMBL9640902

SCHEMBL9640902

COCCN(CCNc1cccnc1)CCOC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.45
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KCNH3 Q9ULD8 1/20 0.39
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
PDE4B Q07343 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7283777 0.84 KCNH3 (0.53) RAB9AALDH1A1HPGDTDP1MEN1
SCHEMBL3210499 0.78 CHRNA7 (0.51) RAB9ASMN1; SMN2CHRNB2CHRNA4
Ethoxycarbonyl Group SCHEMBL28051772 0.72 KDM4E (0.42) RAB9AALDH1A1HPGDTDP1MEN1
SCHEMBL3643530 0.72 RAB9A (0.54) RAB9AALDH1A1MEN1KMT2ALMNA
SCHEMBL22851453 0.71 RAB9A (0.53) RAB9AALDH1A1MEN1KMT2ACHRNB2
SCHEMBL6047182 0.70 KCNA5 (0.57) KCNA5KCNH2CHRNB2CHRNA4
SCHEMBL4507702 0.69 LMNA (0.53) RAB9AALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL7035415 0.69 MAPT (0.67) RAB9AALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL14376115 0.69 CHRNB2 (0.57) KCNA5TDP1SMN1; SMN2CHRNB2CHRNA4
SCHEMBL4383419 0.69 RAB9A (0.50) RAB9AALDH1A1HPGDMEN1KMT2A

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-0496746-A1 PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES THE UPJOHN COMPANY (US) 1992-08-05 EP disclosed
WO-1991006542-A1 PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES THE UPJOHN COMPANY (US) 1991-05-16 WO disclosed