SCHEMBL2411079

SCHEMBL2411079

O=C(O)Oc1ccc(-c2ccccc2Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
HPGD P15428 4/20 0.41
CHRNA7 P36544 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPK11 Q15759 3/20 0.38

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
SCHEMBL2407370 0.88 TSHR (0.39) CNR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6661351 0.78 RAB9A (0.50) HPGDALDH1A1KDM4ENPC1PKM
SCHEMBL28804554 0.76 APP (0.48) CNR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2411077 0.75 HPGD (0.70) CNR1HPGDCHRNA7ALDH1A1MAPK11
SCHEMBL3962151 0.72 DAO (0.31) TP53TSHR
SCHEMBL486042 0.71 DAO (0.48) HPGDALDH1A1KDM4ECASP3SMN1; SMN2
SCHEMBL7812232 0.71 KDM4E (0.59) CHRNA7ALDH1A1KDM4ENPC1KMT2A
SCHEMBL1637925 0.70 AKR1C3 (0.47) HPGDALDH1A1NPC1TP53PKM
SCHEMBL2414233 0.70 HPGD (0.54) CNR1HPGDCHRNA7ALDH1A1MAPK11
SCHEMBL30702043 0.70 TUBB4A (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
EP-2539326-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-01-02 EP disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO disclosed