SCHEMBL27609433

SCHEMBL27609433

Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MAPT P10636 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 5/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ PRKCI P41743 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ KDR P35968 3/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ JAK1 P23458 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL27467102 0.89 SMN1; SMN2 (0.54) ALDH1A1HTTNPSR1MAPTSMN1; SMN2
SCHEMBL27486254 0.89 SMN1; SMN2 (0.53) ALDH1A1HTTNPSR1MAPTSMN1; SMN2
SCHEMBL27465575 0.88 P2RX1 (0.50) ALDH1A1HTTNPSR1CYP1A2CYP3A4
SCHEMBL27486256 0.88 KDR (0.57) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL27485248 0.84 KDR (0.59) ALDH1A1HTTNPSR1CYP3A4TDP1
SCHEMBL27485244 0.83 ALDH1A1 (0.52) ALDH1A1HTTNPSR1CYP1A2CYP3A4
SCHEMBL27468045 0.82 KDR (0.44) ALDH1A1HTTNPSR1MAPTSMN1; SMN2
SCHEMBL27484538 0.81 CYP17A1 (0.56) ALDH1A1HTTNPSR1MAPTSMN1; SMN2
SCHEMBL27548625 0.81 KDR (0.59) ALDH1A1MAPTSMN1; SMN2KDRFLT1
SCHEMBL27485938 0.81 PRKCI (0.53) MAPTSMN1; SMN2LMNANPC1RAB9A

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
CN-1578768-A Anthranilamides and pharmaceutical use thereof NOVARTIS AG (CH) 2005-02-09 — — CN claimed
CN-100467450-C Anthranilamides and pharmaceutical use thereof NOVARTIS AG (CH) 2009-03-11 — — CN disclosed
CN-1578768-A Anthranilamides and pharmaceutical use thereof NOVARTIS AG (CH) 2005-02-09 — — CN disclosed
Send feedback