SCHEMBL27159853

SCHEMBL27159853

O=C(OOc1ccnc2ccccc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ AR P10275 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ NCF1 P14598 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ METAP2 P50579 1/20 0.38

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
SCHEMBL17199398 0.84 MAPT (0.54) LMNAF2ARCYP1A2NCOA3
SCHEMBL5825759 0.78 LMNA (0.48) LMNAARSMN1; SMN2ALDH1A1MAPT
SCHEMBL2309532 0.76 CYP1A2 (0.45) LMNACYP1A2LOXL2SMN1; SMN2NCF1
SCHEMBL11881720 0.75 LOXL2 (0.52) CYP1A2LOXL2SMN1; SMN2NPC1RAB9A
SCHEMBL29611759 0.74 LMNA (0.70) LMNAF2SMN1; SMN2ALDH1A1MAPT
SCHEMBL38661023 0.74 ESR1 (0.56) LMNASMN1; SMN2NPC1RAB9AALDH1A1
Carbamic Acid SCHEMBL29034270 0.73 ALOX15 (0.54) LMNASMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL2112736 0.73 KDM4E (0.58) CYP1A2LOXL2SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL28683734 0.73 TDP1 (0.51) LMNACYP1A2LOXL2ALDH1A1MAPT
SCHEMBL14877345 0.72 LMNA (0.59) LMNAF2SMN1; SMN2NPC1RAB9A

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
EP-4330233-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2024-03-06 — — EP disclosed
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