SCHEMBL6832095

SCHEMBL6832095

Cc1c(N)ccc(F)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
TSHR P16473 4/20 0.43
PIK3CA P42336 1/20 0.43
TDP1 Q9NUW8 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 2/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 7/20 0.39
POLB P06746 1/20 0.33
CD44 P16070 1/20 0.33
CA1 P00915 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL30673309 0.83 POLB (0.36) CYP3A4TSHRPIK3CAALDH1A1POLB
SCHEMBL26927471 0.83 POLB (0.36) CYP3A4TSHRPIK3CAALDH1A1POLB
SCHEMBL5241664 0.81 CYP3A4 (0.46) CYP3A4TSHRPIK3CATDP1SMN1; SMN2
SCHEMBL29947309 0.79 CYP3A4 (0.43) CYP3A4TSHRPIK3CATDP1SMN1; SMN2
SCHEMBL6648558 0.79 CYP3A4 (0.43) CYP3A4TSHRPIK3CATDP1SMN1; SMN2
SCHEMBL30181273 0.79 ALDH1A1 (0.39) CYP3A4TSHRPIK3CATDP1SMN1; SMN2
SCHEMBL1548262 0.79 POLB (0.44) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL1085636 0.79 ALDH1A1 (0.39) CYP3A4TSHRPIK3CATDP1SMN1; SMN2
SCHEMBL657099 0.78 ALDH1A1 (0.42) CYP3A4TSHRTDP1SMN1; SMN2TP53
SCHEMBL2934547 0.77 CYP3A4 (0.53) CYP3A4TSHRPIK3CATDP1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119573-A1 GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION APPARATUS, AND POLYIMIDE COMPOUND FUJIFILM CORPORATION (JP) 2023-04-20 US disclosed
WO-2021256237-A1 GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION APPARATUS, AND POLYIMIDE COMPOUND 富士フイルム株式会社 2021-12-23 WO disclosed
US-6740128-B2 BLEND CONTAINING ENAMINE AND ALKALINE MIXTURE OF ALDEHYDE AND PRIMARY AMINE WELLA AKTIENGESELLSCHAFT (DE) 2004-05-25 US disclosed