SCHEMBL27656833

SCHEMBL27656833

O=S=Nc1nc2ccccc2s1.c1ccc(C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ TXN P10599 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MEN1 O00255 4/20 0.39

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
SCHEMBL27278348 0.82 INSR (0.49) DRD2ALDH1A1HPGDTDP1CYP1A2
SCHEMBL27784528 0.75 TXN (0.56) MAOBHTR1ADRD2HTR2ASLC6A4
SCHEMBL27615752 0.74 CNR1 (0.33) MAOBTXNALDH1A1HPGDTDP1
SCHEMBL27508347 0.73 MAOB (0.44) MAOBHTR1ADRD2HTR2ASLC6A4
SCHEMBL27614911 0.70 KMT2A (0.60) MAOBTXNALDH1A1HPGDTDP1
SCHEMBL28919884 0.69 KMT2A (0.71) MAOBDRD2TXNALDH1A1HPGD
SCHEMBL30702394 0.69 KMT2A (0.71) MAOBDRD2TXNALDH1A1HPGD
SCHEMBL816962 0.69 KMT2A (0.71) MAOBDRD2TXNALDH1A1HPGD
Ethylene SCHEMBL27285762 0.67 SLC18A3 (0.59) ALDH1A1CYP1A2CYP2D6TSHRSMN1; SMN2
SCHEMBL19262690 0.67 SLC18A3 (0.63) ALDH1A1CYP1A2CYP2D6TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101311210-B Coupling agent for an elastomeric composition comprising a reinforcing filler ARKEMA 2012-01-04 — — CN disclosed
CN-101311210-A Coupling agent for an elastomeric composition comprising a reinforcing filler ARKEMA (FR) 2008-11-26 — — CN disclosed
CN-100404599-C Coupling agent for elastomeric compositions comprising a reinforcing filler ARKEMA (FR) 2008-07-23 — — CN disclosed
CN-1836000-A Coupling agent for elastomeric compositions comprising a reinforcing filler ARKEMA (FR) 2006-09-20 — — CN disclosed
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