SCHEMBL14101726

SCHEMBL14101726

COc1cc(OC)cc(-c2cn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
AR P10275 1/20 0.35
NOTUM Q6P988 2/20 0.34
ACVR1 Q04771 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34

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
SCHEMBL14102092 0.89 PDK2 (0.34) NOTUMMAPTHSD17B10S1PR1
SCHEMBL4722070 0.88 P2RX7 (0.39) F2F10NOTUMP2RX7S1PR1
SCHEMBL4722067 0.88 P2RX7 (0.39) F2F10NOTUMP2RX7S1PR1
SCHEMBL4721608 0.85 AKR1B10 (0.33) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL14101834 0.85 F2 (0.36) F2F10ARNOTUMTUBB4A
SCHEMBL4720700 0.84 ITGB2 (0.39)
SCHEMBL4720703 0.84 ITGB2 (0.39)
SCHEMBL14101952 0.84 AKR1B10 (0.32) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4724969 0.82 NOTUM (0.36) NOTUMMAPTHSD17B10ALOX15S1PR1
SCHEMBL4722462 0.82 NOTUM (0.36) NOTUMMAPTHSD17B10ALOX15S1PR1

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed