SCHEMBL11283343

SCHEMBL11283343

CCS(=O)(=O)O.Nc1cc2ccccc2c(N2CCOCC2)n1

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

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 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ GLA P06280 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ PIK3CA P42336 7/20 0.45
▸ PIK3R1 P27986 6/20 0.45
▸ MTOR P42345 5/20 0.45
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ USP2 O75604 1/20 0.43

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
SCHEMBL11275047 0.87 NCF1 (0.58) NCF1KDM4EMAPTALDH1A1GLA
SCHEMBL4770137 0.76 SMN1; SMN2 (0.51) MAPTALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL29124131 0.74 NCF1 (0.50) NCF1KDM4EMAPTALDH1A1GLA
SCHEMBL177816 0.74 HTR3A (0.61) NCF1KDM4EALDH1A1LMNA
SCHEMBL4262506 0.73 NCF1 (0.56) NCF1KDM4EMAPTALDH1A1GLA
SCHEMBL30744833 0.72 KDM4E (0.55) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL11791112 0.71 KDM4E (0.56) NCF1KDM4EMAPTALDH1A1GLA
SCHEMBL12215244 0.71 HTR2C (0.59) NCF1KDM4EMAPTALDH1A1HPGD
SCHEMBL27927276 0.69 KDM4E (0.51) NCF1KDM4EMAPTALDH1A1GLA
SCHEMBL30389776 0.69 PIK3CD (0.59) KDM4EMAPTALDH1A1GLAGAA

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
US-4324894-A NARCOSIS POTENTIATING EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-04-13 — — US disclosed
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