SCHEMBL20490802

SCHEMBL20490802

COc1ccc2c(c1)C(O)CCN2c1nc(C)c2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 10/20 0.72
TUBB P07437 10/20 0.72
TUBA3C P0DPH7 10/20 0.72
TUBA1B P68363 10/20 0.72
TUBA4A P68366 10/20 0.72
TUBB4B P68371 10/20 0.72
TUBB3 Q13509 10/20 0.72
TUBB2A Q13885 10/20 0.72
TUBB8 Q3ZCM7 10/20 0.72
TUBA3E Q6PEY2 10/20 0.72
TUBA1A Q71U36 10/20 0.72
TUBA1C Q9BQE3 10/20 0.72
TUBB6 Q9BUF5 10/20 0.72
TUBB2B Q9BVA1 10/20 0.72
TUBB1 Q9H4B7 10/20 0.72
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL16622701 0.84 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16611884 0.79 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612065 0.76 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612033 0.69 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16622719 0.68 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16611823 0.67 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19979462 0.67 SMN1; SMN2 (0.48) MAPTSMN1; SMN2LMNATSHRHSD17B10
SCHEMBL16611976 0.67 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612517 0.67 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16612248 0.66 TUBB4A (0.68) 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
EP-2857393-B1 N-ARYL UNSATURATED FUSED RING TERTIARY AMINE COMPOUND, PREPARATION METHOD THEREOF AND ANTITUMOR APPLICATION THEREOF INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2018-09-12 EP claimed