SCHEMBL22686244

SCHEMBL22686244

Cc1ccc2nc(-c3ccccc3C)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.64
RAB9A P51151 11/20 0.61
NPC1 O15118 10/20 0.61
KDM4E B2RXH2 10/20 0.61
SMN1; SMN2 Q16637 9/20 0.61
ALDH1A1 P00352 7/20 0.61
HPGD P15428 7/20 0.61
TP53 P04637 3/20 0.61
PKM P14618 1/20 0.61
MAPT P10636 7/20 0.60
CASP3 P42574 4/20 0.60
SENP8 Q96LD8 4/20 0.60
SENP7 Q9BQF6 4/20 0.60
SENP6 Q9GZR1 4/20 0.60
TSHR P16473 1/20 0.60
RPS6KA3 P51812 1/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL14148310 0.87 RAB9A (0.73) HSD17B10RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL12777019 0.86 HSD17B10 (0.52) HSD17B10RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL12304267 0.85 HSD17B10 (0.66) HSD17B10RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL802768 0.84 HSD17B10 (0.60) HSD17B10RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL16972929 0.84 HSD17B10 (0.60) HSD17B10RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL28636530 0.84 RAB9A (0.78) HSD17B10RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9197515 0.84 ESR1 (0.68) HSD17B10RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL4159029 0.83 NPC1 (0.67) HSD17B10RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL27361354 0.82 MAPT (0.66) HSD17B10RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL12304263 0.81 KDM4E (0.62) HSD17B10RAB9ANPC1KDM4ESMN1; 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-12497712-B2 Property modulation with chemical transformations REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-12-16 US disclosed
EP-3973534-A1 PROPERTY MODULATION WITH CHEMICAL TRANSFORMATIONS The Regents Of The University Of Michigan (US) 2022-03-30 EP disclosed
US-20200370204-A1 PROPERTY MODULATION WITH CHEMICAL TRANSFORMATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2020-11-26 US disclosed
US-20200370204-A1 PROPERTY MODULATION WITH CHEMICAL TRANSFORMATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2020-11-26 US disclosed