SCHEMBL7102933

SCHEMBL7102933

c1ccc(Cc2nccc3cccnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ CCR1 P32246 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MMP13 P45452 1/20 0.47

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
SCHEMBL29373118 0.78 ACHE (0.49) MAPTLMNACYP3A4CYP2D6ALOX15
SCHEMBL232662 0.78 ACHE (0.49) MAPTLMNACYP3A4CYP2D6ALOX15
SCHEMBL7018895 0.77 NPC1 (0.43) KDM4ESMN1; SMN2CYP3A4CYP2D6CCR1
SCHEMBL30542089 0.76 ACHE (0.48) MAPTLMNACYP3A4CYP2D6ALOX15
SCHEMBL9407051 0.76 PAX8 (0.53) KDM4EMAPTSMN1; SMN2MMP2TSHR
Bromide SCHEMBL28325156 0.76 ACHE (0.48) MAPTLMNACYP3A4CYP2D6ALOX15
Bromide SCHEMBL5146705 0.76 ACHE (0.48) MAPTLMNACYP3A4CYP2D6ALOX15
Hydrochloric Acid SCHEMBL7823346 0.76 ACHE (0.48) KDM4EMAPTSMN1; SMN2LMNACYP3A4
Quinoline SCHEMBL28087030 0.76 ALDH1A1 (0.52) CYP3A4CYP2D6PAX8RAB9AALDH1A1
SCHEMBL19566070 0.76 CCR1 (0.52) KDM4EMAPTSMN1; SMN2MMP2TSHR

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
EP-0934320-B1 NAPHTHYRIDINE DERIVATIVES NOVARTIS AG (CH) 2003-04-02 — — EP disclosed
US-6136821-A ANTIINFLAMMATORY AGENTS, ANTIHISTAMINES AND BRONCHODILATOR AGENTS NOVARTIS AG (CH) 2000-10-24 — — US disclosed
EP-0934320-A1 NAPHTHYRIDINE DERIVATIVES Novartis AG (CH) 1999-08-11 — — EP disclosed
WO-1998018796-A1 NAPHTHYRIDINE DERIVATIVES NOVARTIS AG (CH) 1998-05-07 — — WO disclosed
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