SCHEMBL9305710

SCHEMBL9305710

c1ccc(Cc2ncn[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 2/20 0.46
DAO P14920 1/20 0.46
CALM1 P0DP23 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.41
ALPL P05186 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
HPGDS O60760 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
SCHEMBL7370545 0.80 CYP2C19 (0.56) HDAC3HDAC6NCOR2CYP1A2
SCHEMBL1993506 0.68 SMN1; SMN2 (0.48) SMN1; SMN2TAAR1ALDH1A1GAACYP1A2
SCHEMBL11636643 0.67 HSD17B10 (0.70) SMN1; SMN2ALDH1A1GAAKDM4ECYP1A2
SCHEMBL7620083 0.67 TAAR1 (0.50) TAAR1NR1H2NR1H3DAOCALM1
SCHEMBL232998 0.67 NR1H2 (0.46) TAAR1NR1H2NR1H3DAOCALM1
SCHEMBL9243 0.67 TAAR1 (1.00) SMN1; SMN2TAAR1CALM1ALDH1A1GAA
SCHEMBL4494347 0.65 HPGDS (0.54) TAAR1NR1H2NR1H3DAOCALM1
SCHEMBL11581317 0.65 NR1H2 (0.62) HDAC6SMN1; SMN2TAAR1NR1H2NR1H3
Bromide SCHEMBL29135558 0.65 TAAR1 (0.96) SMN1; SMN2TAAR1CALM1ALDH1A1GAA
SCHEMBL5173931 0.65 NR1H2 (0.44) TAAR1NR1H2NR1H3DAOCALM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4722199-A1 AZOLE COMPOUND, METHOD FOR SYNTHESIZING SAID AZOLE COMPOUND, AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2026-04-08 EP disclosed
CN-116640156-A RIPK1 inhibitors 上海齐鲁制药研究中心有限公司 2023-08-25 CN disclosed
CN-113045560-B Amide derivative and preparation method and application thereof 港科鹏禾生物(苏州)有限公司 2022-09-06 CN disclosed
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 WO disclosed