SCHEMBL21067367

SCHEMBL21067367

c1ccc(-c2cc(-c3cc[nH]n3)on2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.65
RAB9A P51151 9/20 0.65
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
HPGDS O60760 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
NFKB1 P19838 1/20 0.53
CYP2C19 P33261 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
PTPN1 P18031 1/20 0.48
PTGS2 P35354 2/20 0.48
TP53 P04637 1/20 0.48

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
3,5-Diphenylisoxazole SCHEMBL1421260 0.79 NPC1 (1.00) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL9438 0.79 CYP1A2 (0.48) RAB9AMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL8258186 0.77 NPC1 (0.96) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL30636164 0.77 CYP1A2 (0.47) RAB9AMEN1KMT2ASMN1; SMN2CYP1A2
Phosphine SCHEMBL28114703 0.77 CYP1A2 (0.47) RAB9AMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL31519384 0.77 CYP1A2 (0.47) RAB9AMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL28309054 0.77 CYP1A2 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL842040 0.77 CYP1A2 (0.47) RAB9AMEN1KMT2ASMN1; SMN2CYP1A2
Ammonia Solution, Strong SCHEMBL29843017 0.77 CYP1A2 (0.47) RAB9AMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL514705 0.77 CYP1A2 (0.47) RAB9AMEN1KMT2ASMN1; SMN2CYP1A2

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-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed