SCHEMBL7800638

SCHEMBL7800638

CCc1ccc(-c2cc(N)ccc2N(CCO)CCO)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL7812266 0.88 KDM4E (0.38) ALDH1A1KDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL7809861 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL7808469 0.83 KDM4E (0.30) ALDH1A1KDM4EMAPT
SCHEMBL7812181 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL7800634 0.78 ALDH1A1 (0.32) ALDH1A1KDM4EMAPTSMN1; SMN2TP53
SCHEMBL7812228 0.78 KDM4E (0.38) ALDH1A1KDM4EMAPTSMN1; SMN2TP53
SCHEMBL7460481 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7805909 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTALOX5PTGS1
SCHEMBL7800708 0.75 ALOX5 (0.42) ALDH1A1KDM4EMAPTALOX5PTGS1
SCHEMBL7805920 0.75 ALDH1A1 (0.32) ALDH1A1

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-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed