SCHEMBL5161307

SCHEMBL5161307

COc1ccc(-c2[nH]c3ccc(C(C)C)cc3c2C=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46
TUBB1 Q9H4B7 2/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PTGS2 P35354 1/20 0.42
AHR P35869 1/20 0.42
KDM4E B2RXH2 4/20 0.41

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
SCHEMBL15330440 0.93 MTNR1A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5159539 0.90 KIF11 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28402701 0.87 MTNR1A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15332111 0.86 KDM4E (0.44) PTGS2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15330416 0.85 KDM4E (0.43) PTGS2KDM4ECNR1
SCHEMBL15333211 0.85 CCNB2 (0.48) PTGS2AHRKDM4E
SCHEMBL5161888 0.83 KDM4E (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2558790 0.82 KDM4E (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15332293 0.81 KDM4E (0.44) PTGS2KDM4EALDH1A1MAPTIMPDH2
SCHEMBL15332570 0.81 PTGS2 (0.43) PTGS2KDM4EALDH1A1HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007010044-A1 3-INDOLYLMETHYLENE DERIVATIVES WITH CYTOSTATIC ACTION UNIVERSITAET REGENSBURG (DE) 2007-01-25 WO disclosed
EP-1746087-A1 Derivates of 3-indolylmethylene having cytostatic properties Universitaet Regensburg (DE) 2007-01-24 EP disclosed