SCHEMBL8586004

SCHEMBL8586004

O=C(c1ccccc1F)c1cc(Br)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GSTA1 P08263 1/20 0.42
POLB P06746 1/20 0.41
KAT6A Q92794 2/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41

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
SCHEMBL4847991 0.84 MAPT (0.70) TP53MAPTMAPK1ALDH1A1LMNA
SCHEMBL638831 0.82 TP53 (0.62) TP53MAPTMAPK1ALDH1A1LMNA
SCHEMBL1198848 0.81 TP53 (0.61) TP53MAPTMAPK1ALDH1A1LMNA
SCHEMBL1198598 0.79 TP53 (0.59) TP53MAPTMAPK1ALDH1A1LMNA
SCHEMBL31602906 0.78 NPC1 (0.56) TP53MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6555297 0.78 NPC1 (0.56) TP53MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5550221 0.78 HTT (0.62) TP53MAPTMAPK1ALDH1A1LMNA
SCHEMBL14998701 0.77 TP53 (0.57) TP53MAPTMAPK1ALDH1A1LMNA
SCHEMBL5583502 0.76 MAPK1 (0.57) TP53MAPTMAPK1ALDH1A1LMNA
SCHEMBL5583501 0.76 TP53 (0.56) TP53MAPTMAPK1ALDH1A1LMNA

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
US-5814833-A OPTICAL AND ELECTRONIC POLYMERS FOR ELECTRONICS, PHOTONICS AND OPTOELECTRONICS APPLICATIONS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-09-29 US disclosed
US-5597890-A ENHANCED LUMINESCENCE AND PHOTOGENERATION OF CHARGE CARRIERS AND QUANTUM EFFICIENCY USING N-HETEROCYCLE AROMATIC RESINS AND AN ELECTRON DONOR OR ACCEPTOR; OPTOELECTRONICS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-01-28 US disclosed
WO-1994004592-A1 PHOTOCONDUCTIVE POLYMERS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-03-03 WO disclosed