SCHEMBL8751587

SCHEMBL8751587

Oc1ccccc1NCCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.50
CA12 O43570 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 1/20 0.45
HTT P42858 3/20 0.40
IDO1 P14902 4/20 0.39
NPC1 O15118 4/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 3/20 0.38
MMP9 P14780 2/20 0.38
GMNN O75496 1/20 0.38
EGFR P00533 1/20 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
SCHEMBL13736441 0.86 MAPT (0.57) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9577809 0.84 MAPT (0.55) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL28927027 0.82 MAPT (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9442781 0.80 CA12 (0.36) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL11401614 0.80 IDO1 (0.54) MAPTKDM4EALDH1A1CA12CA9
SCHEMBL2204571 0.80 KDM4E (0.52) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL1471292 0.78 IDO1 (0.61) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7838711 0.78 KDM4E (0.50) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL1404068 0.78 MAPT (0.50) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL1955931 0.78 IDO1 (0.61) MAPTKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592396-B1 BENZOXAZINE DYES BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
EP-0592396-A1 BENZOXAZINE DYES. BRISTOL MYERS SQUIBB CO (US) 1994-04-20 EP disclosed
EP-0592396-A4 BENZOXAZINE DYES. BRISTOL MYERS SQUIBB CO (US) 1992-09-28 EP disclosed
US-5118323-A Hair dyes CLAIROL, INC. 1992-06-02 US disclosed
US-5055110-A Hair dyes CLAIROL INCORPORATED (US) 1991-10-08 US disclosed
WO-1991007394-A1 BENZOXAZINE DYES BRISTOL-MYERS SQUIBB COMPANY (US) 1991-05-30 WO disclosed