SCHEMBL8965829

SCHEMBL8965829

Nc1cc(-c2cc3ccccc3[nH]2)ccc1-c1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 5/20 0.58
KDM4E B2RXH2 5/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CHEK1 O14757 1/20 0.51

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
SCHEMBL29733654 0.85 KDR (0.53) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL2563486 0.85 KDR (0.53) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL29419326 0.85 KDR (0.53) RAB9ANPC1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL31035997 0.83 KDR (0.51) RAB9ANPC1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL5683292 0.83 KDR (0.51) RAB9ANPC1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL3675763 0.83 KDR (0.51) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL29361867 0.82 KDR (0.58) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL221259 0.82 KDR (0.58) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL9469591 0.82 RAB9A (0.58) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5519206 0.82 NPC1 (0.63) RAB9ANPC1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed
US-5298189-A Fluorescent compound dispersed in polymer matrix, no self-absorption, stable to high energy radiation NANOPTICS INCORPORATED (US) 1994-03-29 US disclosed