SCHEMBL8472702

SCHEMBL8472702

Nc1ccc2c(c1)CCNC2C(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 3/20 0.50
▸ KDM1A O60341 1/20 0.42
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MITF O75030 1/20 0.35

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
SCHEMBL8473162 0.84 TBXA2R (0.42) TBXA2RKDM1AGAAMEN1KMT2A
SCHEMBL8470780 0.84 TBXA2R (0.42) TBXA2RKDM1AMAPTALDH1A1LMNA
SCHEMBL6968049 0.84 TSHR (0.47) TBXA2RKDM1A
SCHEMBL6967844 0.78 OPRM1 (0.42) TBXA2RALDH1A1POLB
SCHEMBL8471637 0.78 OPRM1 (0.42) TBXA2RALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8472080 0.75 KDM1A (0.47) TBXA2RKDM1AMAPTMEN1KMT2A
SCHEMBL6973757 0.74 TBXA2R (0.40) TBXA2RKDM1A
SCHEMBL8472698 0.74 TBXA2R (0.36) TBXA2RKDM1A
SCHEMBL5448043 0.74 TSHR (0.55) TBXA2RKDM1AALDH1A1L3MBTL1HTR1A
SCHEMBL6966660 0.73 TSHR (0.40) TBXA2RMEN1KMT2A

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-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 — — US disclosed
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