SCHEMBL7459374

SCHEMBL7459374

Nc1ccc(NCCCO)c(-c2ccoc2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.35
CYP19A1 P11511 1/20 0.35
NUDT1 P36639 1/20 0.35
METAP2 P50579 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CSNK2A1 P68400 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACP1 P24666 1/20 0.32
RET P07949 1/20 0.32

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
SCHEMBL7460535 0.92 CSNK2A1 (0.35) PRSS1METAP2ALDH1A1CSNK2A1KDM4E
SCHEMBL7461915 0.83 PTGER4 (0.43) METAP2ALDH1A1KDM4EGAAMAPT
SCHEMBL7459480 0.82 CSNK2A1 (0.31) CSNK2A1RET
SCHEMBL7465711 0.80 ALDH1A1 (0.45) METAP2ALDH1A1CSNK2A1KDM4EMAPT
SCHEMBL7451372 0.79 PDE3B (0.33) CSNK2A1RET
SCHEMBL7805962 0.76 PDE4B (0.40) CYP19A1NUDT1ALDH1A1KDM4EGAA
SCHEMBL7467328 0.76 ALDH1A1 (0.39) NUDT1METAP2ALDH1A1CSNK2A1HPGD
SCHEMBL7460878 0.76 IMPDH2 (0.41) PRSS1CYP19A1ALDH1A1
SCHEMBL7466682 0.76 PRSS1 (0.35) PRSS1CYP19A1NUDT1ALDH1A1
SCHEMBL7459989 0.75 RET (0.36) ALDH1A1CSNK2A1TSHRHSD17B10RET

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-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP disclosed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP disclosed