SCHEMBL9833008

SCHEMBL9833008

CCC1C(=O)Nc2cc3[nH]c(NC(C)=O)nc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
NQO2 P16083 3/20 0.43
HIF1A Q16665 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 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
SCHEMBL10768708 0.85 NQO2 (0.33) LMNANQO2HIF1AMAPK1CYP1A2
SCHEMBL9833825 0.84 LMNA (0.47) LMNANQO2HIF1AMAPK1CYP1A2
SCHEMBL9834590 0.80 PGR (0.40) NQO2PGR
SCHEMBL9833658 0.78 FABP6 (0.43) MEN1KMT2AABL1PGR
SCHEMBL9835234 0.78 PGR (0.40) PGR
SCHEMBL10375388 0.77 NQO2 (0.43) NQO2MEN1TP53HPGDKMT2A
SCHEMBL9835004 0.76 HPGD (0.40) CYP1A2CYP2D6MEN1HPGDKMT2A
SCHEMBL9834766 0.76 KMT2A (0.48) KMT2APGR
SCHEMBL9836082 0.76 KDM4E (0.43) LMNACYP1A2MEN1KMT2APGR
SCHEMBL9834606 0.75 KDM4E (0.45) LMNACYP1A2HPGDSMN1; SMN2NPSR1

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
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed