SCHEMBL9187341

SCHEMBL9187341

Nc1ccc2c(=O)c3cc([N+](=O)[O-])ccc3oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ GFER P55789 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ KDM1A O60341 1/20 0.50
▸ PTPN1 P18031 1/20 0.47
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ GABRP O00591 2/20 0.45
▸ GABRD O14764 2/20 0.45
▸ GABRA1 P14867 2/20 0.45
▸ GABRB1 P18505 2/20 0.45
▸ GABRG2 P18507 2/20 0.45
▸ GABRB3 P28472 2/20 0.45
▸ GABRA5 P31644 2/20 0.45
▸ GABRA3 P34903 2/20 0.45
▸ GABRA2 P47869 2/20 0.45

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
SCHEMBL2433951 0.93 MAPT (0.58) MAPTRAB9ANPC1GFERSMN1; SMN2
SCHEMBL9189119 0.86 KDM1A (0.61) MAPTRAB9ANPC1GFERSMN1; SMN2
SCHEMBL11618318 0.83 RAB9A (0.85) MAPTRAB9ANPC1GFERSMN1; SMN2
SCHEMBL6524056 0.82 MAPT (0.69) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1937499 0.79 RAB9A (0.69) MAPTRAB9ANPC1GFERSMN1; SMN2
SCHEMBL31613986 0.79 RAB9A (0.69) MAPTRAB9ANPC1GFERSMN1; SMN2
SCHEMBL9186989 0.79 MEN1 (0.84) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9187037 0.78 KDM1A (0.53) MAPTMEN1KMT2AKDM1APTPN1
SCHEMBL4381356 0.76 RAB9A (1.00) MAPTRAB9ANPC1GFERSMN1; SMN2
SCHEMBL11424504 0.75 ALDH1A1 (0.52) MAPTRAB9ANPC1GFERSMN1; 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
US-5176854-A Xanthone Derivatives HITACHI, LTD. (JP) 1993-01-05 — — US claimed
EP-0315140-B1 Non-linear optical device HITACHI LTD (JP) 1995-08-23 — — EP disclosed
US-5176854-A Xanthone Derivatives HITACHI, LTD. (JP) 1993-01-05 — — US disclosed
EP-0315140-A2 Non-linear optical device HITACHI, LTD. (JP) 1989-05-10 — — EP disclosed
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