SCHEMBL21829026

SCHEMBL21829026

COc1cccc(Br)c1C(=O)Nc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MEN1 O00255 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ STK39 Q9UEW8 1/20 0.50
▸ MAPK14 Q16539 1/20 0.49

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
SCHEMBL21828972 0.81 MAPT (0.61) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL18120560 0.77 MEN1 (0.75) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL17103204 0.77 KMT2A (0.55) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL21829030 0.76 NPC1 (0.68) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL21828989 0.75 KMT2A (0.66) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL12845409 0.75 STK39 (0.46) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL21829022 0.75 KMT2A (0.69) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL24004518 0.74 KMT2A (0.64) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL10161848 0.74 KDM4E (0.43) KMT2ANPC1MEN1ALDH1A1POLB
SCHEMBL21311190 0.73 KMT2A (0.60) KMT2AMEN1ALDH1A1CYP1A2CYP2C19

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-112888688-A Benzamide derivatives as CGAS-STING pathway agonists 巴鲁克斯布伦博格研究所 2021-06-01 — — CN claimed
WO-2020072492-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS BARUCH S. BLUMBERG INSTITUTE (US) 2020-04-09 — — WO claimed
CN-112888688-A Benzamide derivatives as CGAS-STING pathway agonists 巴鲁克斯布伦博格研究所 2021-06-01 — — CN disclosed
Send feedback