SCHEMBL7233306

SCHEMBL7233306

[CH2]Oc1ccc2c(ccn2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
CYP2A6 P11509 2/20 0.49
KDM4C Q9H3R0 1/20 0.42
KDR P35968 1/20 0.41
CHRNA7 P36544 2/20 0.41
PIK3CB P42338 1/20 0.41
HSD11B1 P28845 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL5080973 0.82 PRKCI (0.55) PRKCICYP2A6TUBB4ATUBBTUBA3C
SCHEMBL30444309 0.82 PRKCI (0.55) PRKCICYP2A6TUBB4ATUBBTUBA3C
SCHEMBL18314120 0.81 PRKCI (0.53) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL8685783 0.79 PRKCI (0.52) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL2656889 0.79 PRKCI (0.52) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL11009200 0.78 MAPT (0.51) PRKCICYP2A6KDRPPARDPPARA
SCHEMBL26441685 0.78 PRKCI (0.50) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL5431673 0.77 PRKCI (0.49) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL16441025 0.77 PRKCI (0.49) PRKCICYP2A6KDM4CKDRCHRNA7
SCHEMBL7232110 0.77 HTR2C (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
US-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed