SCHEMBL21983449

SCHEMBL21983449

Cc1ccc2cc(C)n(CC(F)F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2A6 P11509 3/20 0.35
▸ CCR9 P51686 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ PRMT5 O14744 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL20853336 0.81 PRMT5 (0.49) CYP1A2MAPTRXFP1KMT2APRMT5
SCHEMBL21983450 0.80 CYP1A2 (0.39) HTR2AHTR2CCYP1A2CYP2A6CCR9
SCHEMBL21335596 0.78 MAPT (0.43) HTR2AHTR2CCYP1A2CYP2A6CCR9
SCHEMBL21983721 0.74 HSD17B10 (0.37) HTR2AHTR2CCYP1A2CYP2A6CCR9
SCHEMBL21983451 0.73 CYP2A6 (0.39) HTR2AHTR2CCYP1A2CYP2A6MAPT
SCHEMBL21983719 0.71 KMT2A (0.40) HTR2AHTR2CCYP1A2MAPTRXFP1
SCHEMBL27990378 0.71 CCR9 (0.49) CCR9MAPTCYP2C9
SCHEMBL10987529 0.70 KDM4E (0.42) HTR2AHTR2CCYP1A2MAPTRXFP1
SCHEMBL21335585 0.68 CYP11B1 (0.43) HTR2AHTR2CMAPTRXFP1KMT2A
SCHEMBL16948291 0.68 KMT2A (0.64) MAPTKMT2AMEN1USP2SMN1; 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
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 — — EP disclosed
EP-3932404-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS Beijing Tide Pharmaceutical Co., Ltd. (CN) 2022-01-05 — — EP disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 — — EP disclosed
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