SCHEMBL14422200

SCHEMBL14422200

CC(C)c1ccc(NC(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.47
▸ RAB9A P51151 8/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ TP53 P04637 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ NR3C1 P04150 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL14422201 0.87 KMT2A (0.45) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL14422198 0.85 TRPV1 (0.48) NPC1RAB9ATRPV1NR3C1
SCHEMBL5217205 0.77 MMP2 (0.56) SMN1; SMN2LMNAALDH1A1POLBMEN1
SCHEMBL14422196 0.76 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL14422199 0.76 TAAR1 (0.46) POLBMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5215090 0.75 TAAR1 (0.45) POLBMEN1KMT2AKDM4E
SCHEMBL9942086 0.73 LMNA (0.57) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL14422264 0.73 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL11031455 0.70 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL21348783 0.68 FADS1 (0.51) NPC1RAB9ASMN1; SMN2EGFRMEN1

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-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 — — US disclosed
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 — — US disclosed
EP-1818333-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-08-15 — — EP disclosed
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