SCHEMBL31404150

SCHEMBL31404150

CCC1Cc2cc(F)ccc2N1.[BH3-]C#N.[Na+]

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 4/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ HTR5A P47898 2/20 0.31
▸ AR P10275 1/20 0.31

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
SCHEMBL26656339 0.90 ADRA2A (0.41) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL550480 0.79 PNMT (0.46) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL27450456 0.70 ITGB3 (0.46) ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL30681298 0.69 LMNA (0.46) BRD4CREBBPHTR5AAR
SCHEMBL8937088 0.69 LMNA (0.46) BRD4CREBBPHTR5AAR
SCHEMBL29529402 0.69 LMNA (0.46) BRD4CREBBPHTR5AAR
SCHEMBL29155359 0.67 HTR5A (0.40) ADRA2AADRA2BADRA2CHTR1DHTR1B
SCHEMBL22955423 0.67 CREBBP (0.59) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL549073 0.67 CREBBP (0.59) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL13072964 0.65 BRD4 (0.41) PNMTADRA2AADRA2BADRA2CBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119546574-A Antiviral indolinyl compounds and uses thereof 吉利德科学公司 2025-02-28 — — CN disclosed
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