SCHEMBL6964319

SCHEMBL6964319

COc1ccc(-c2[nH]nc(C3CCN(c4ccccc4)CC3)c2NC=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCNE2 O96020 2/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LCK P06239 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
MAP4K1 Q92918 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 3/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL6974758 0.87 DRD2 (0.36) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL6956631 0.84 MAPT (0.44) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL6960082 0.82 MAPT (0.47) MAPTALDH1A1KDM4EHPGDCCNE2
SCHEMBL6973060 0.82 MAPT (0.38) MAPTALDH1A1LMNATP53HTR1A
SCHEMBL6964321 0.78 MAPT (0.40) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL6955871 0.77 MAPT (0.40) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL6966887 0.73 KIT (0.47) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL6968659 0.73 MAP4K1 (0.46) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL6959295 0.72 MEN1 (0.42) MAPTALDH1A1HPGDPIM1PIM3
SCHEMBL6966641 0.72 TP53 (0.41) MAPTALDH1A1KDM4EHPGDSMN1; 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
EP-0945439-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed