SCHEMBL11072131

SCHEMBL11072131

CCCCNC(=O)c1cc([N+](=O)[O-])cc2c1Cc1cc(C)ccc1[S+]2[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TBXA2R P21731 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 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
SCHEMBL11070853 0.83 ALDH1A1 (0.39) MAPTSMN1; SMN2LMNATSHRPKM
SCHEMBL11077351 0.82 HSP90AA1 (0.40) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL10996595 0.73 TSHR (0.55) MAPTSMN1; SMN2HTTTSHRHPGD
SCHEMBL11168208 0.72 ALDH1A1 (0.36) MAPTSMN1; SMN2LMNAHTTTSHR
SCHEMBL10831575 0.70 SMN1; SMN2 (0.42) MAPTSMN1; SMN2LMNATSHRNPC1
SCHEMBL28860063 0.70 SMN1; SMN2 (0.60) MAPTALOX12MGLLSMN1; SMN2LMNA
SCHEMBL11160025 0.69 ACHE (0.46) MAPTLMNATSHRRAB9AALDH1A1
SCHEMBL11176919 0.69 AKR1C3 (0.44) MAPTSMN1; SMN2LMNAHTTGAA
SCHEMBL10800979 0.69 ACHE (0.42) MAPTLMNATSHRRAB9AALDH1A1
SCHEMBL26757997 0.69 MGLL (0.54) MAPTALOX12MGLLSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4480105-A PHOTOCROSSLINKING POLYMERS CIBA-GEIGY CORPORATION (US) 1984-10-30 — — US disclosed
US-4385182-A SENSITIZERS OR PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1983-05-24 — — US disclosed
US-4363917-A SENSITIZERS FOR PHOTOCROSSLINKABLE POLYMERS; PHOTOPOLYMERIZATION INITIATORS CIBA-GEIGY CORPORATION (US) 1982-12-14 — — US disclosed
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