SCHEMBL9511543

SCHEMBL9511543

CCCCCCc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 0.54
ALDH1A1 P00352 2/20 0.48
KCNH2 Q12809 1/20 0.48
GSR P00390 1/20 0.45
TXNRD1 Q16881 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL9510613 1.00 VCAM1 (0.54) VCAM1ALDH1A1KCNH2GSRTXNRD1
SCHEMBL9513445 0.94 VCAM1 (0.55) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL18653119 0.91 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL12778023 0.82 KCNH2 (0.48) ALDH1A1KCNH2KDM4E
SCHEMBL7041547 0.82 KAT8 (0.56) ALDH1A1KCNH2KDM4EPOLB
SCHEMBL10780618 0.82 KCNH2 (0.51) ALDH1A1KCNH2POLB
SCHEMBL10489192 0.82 KAT8 (0.56) ALDH1A1KCNH2KDM4EPOLB
SCHEMBL9100894 0.82 KCNH2 (0.51) ALDH1A1KCNH2POLB
SCHEMBL9586705 0.82 KAT8 (0.56) ALDH1A1KCNH2KDM4EPOLB
SCHEMBL8744027 0.82 KCNH2 (0.48) ALDH1A1KCNH2KDM4E

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-0268849-B1 Poly(aminoaromatic) compounds DOW CHEMICAL CO (US) 1993-10-20 EP disclosed
US-5079275-A Polyamino compound is an amino endcapped polyether, polyester, polycarbonate, resole, hydroxybutadiene THE DOW CHEMICAL COMPANY (US) 1992-01-07 US disclosed
US-4847416-A Capping of polyols with aromatic amines THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
EP-0268849-A2 Poly(aminoaromatic) compounds THE DOW CHEMICAL COMPANY (US) 1988-06-01 EP disclosed