SCHEMBL10368985

SCHEMBL10368985

CC(C)C1(c2ccccc2OCCCCBr)C(=O)N(C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HCRTR1 O43613 1/20 0.36
CBX7 O95931 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 4/20 0.33
MEN1 O00255 3/20 0.33

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
SCHEMBL10374079 0.90 POLB (0.39) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL10370674 0.81 RAD52 (0.48) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL10693548 0.80 RAD52 (0.35) RAD52ALDH1A1MAPTPKMOPRM1
SCHEMBL10771121 0.80 RAD52 (0.35) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL10696619 0.79 RAD52 (0.34) RAD52ALDH1A1MAPTPKMOPRM1
SCHEMBL10370705 0.78 ALDH1A1 (0.36) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL10694665 0.77 RAD52 (0.36) RAD52ALDH1A1MAPTPKMLMNA
SCHEMBL10690584 0.76 ALDH1A1 (0.36) RAD52ALDH1A1MAPTPKMOPRM1
Hydrochloric Acid SCHEMBL10409299 0.76 LMNA (0.43) ALDH1A1MAPTLMNAKDM4EOPRM1
Hydrochloric Acid SCHEMBL10369431 0.74 SMPD1 (0.49) MAPTLMNAKDM4ENPSR1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212481-B1 INDOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOUNDS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-12 EP disclosed
US-4952598-A CALCIUM ANTAGONISTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed
US-4882329-A CALCIUM CHANNEL BLOCKERS; CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-21 US disclosed
EP-0212481-A1 Indolinone derivatives, processes for their preparation, pharmaceutical compounds containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed