SCHEMBL9509525

SCHEMBL9509525

CN(c1ccc(Nc2ccccc2)cc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.55
ATM Q13315 2/20 0.49
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
ALOX12 P18054 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL24059372 0.95 JAK3 (0.51) JAK3ATMTRPV1MAPTTDP1
SCHEMBL19227318 0.84 ALDH1A1 (0.50) JAK3ATMTRPV1MEN1KMT2A
SCHEMBL20733138 0.84 ALDH1A1 (0.50) JAK3ATMTRPV1MEN1KMT2A
SCHEMBL20733110 0.84 ALDH1A1 (0.50) JAK3ATMTRPV1MEN1KMT2A
SCHEMBL182620 0.84 ALDH1A1 (0.50) JAK3ATMTRPV1MEN1KMT2A
SCHEMBL19227252 0.84 ALDH1A1 (0.50) JAK3ATMTRPV1MEN1KMT2A
SCHEMBL1498684 0.83 ALDH1A1 (0.46) JAK3ATMMAPTTDP1LMNA
SCHEMBL11693073 0.82 ALDH1A1 (0.47) JAK3ATMTRPV1MAPTLMNA
SCHEMBL4485887 0.82 HRH4 (0.44) JAK3ATMTRPV1MEN1KMT2A
SCHEMBL9514566 0.81 ATM (0.43) JAK3ATMTRPV1MAPTTDP1

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-0446554-B1 PREPARATION OF A N-SUBSTITUTED PHENYLENEDIAMINE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-10-13 EP disclosed
US-5068439-A Chemical intermediates for dyes, drugs, agricultural products and as antoxidants or stabilizers for rubbers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-11-26 US disclosed
EP-0446554-A1 Preparation of a N-substituted phenylenediamine THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-09-18 EP disclosed
US-4968843-A FROM 4-HYDROXYDIPHENYLAMINE; EXCELLENT YIELDS OF HIGH PURITY THE GOODYEAR TIRE & RUBBER COMPANY (US) 1990-11-06 US disclosed