SCHEMBL22609683

SCHEMBL22609683

CCc1cc(F)c(C#N)cc1I

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 5/20 0.33
AKR1B1 P15121 1/20 0.32
AR P10275 2/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
XDH P47989 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL13766377 0.82 TRPV4 (0.50) TRPV4CYP11B1CYP11B2AKR1B1AR
SCHEMBL12763649 0.79 TRPV4 (0.42) TRPV4CYP11B1CYP11B2MEN1KMT2A
SCHEMBL23084780 0.78 TRPV4 (0.41) TRPV4CYP11B1CYP11B2AKR1B1AR
SCHEMBL16360640 0.78 DPP4 (0.33)
SCHEMBL22188019 0.76 TRPV4 (0.42) TRPV4CYP11B1CYP11B2ARMEN1
SCHEMBL21358506 0.74 TRPV4 (0.41) TRPV4CYP11B1CYP11B2AKR1B1AR
SCHEMBL15173971 0.74 TRPV4 (0.41) TRPV4CYP11B1CYP11B2AKR1B1AR
SCHEMBL12294083 0.72 NOS3 (0.31) DAO
SCHEMBL9221822 0.71 TRPV4 (0.39) TRPV4CYP11B1CYP11B2AKR1B1AR
SCHEMBL17672794 0.71 TRPV4 (0.56) TRPV4TTRALBCYP11B1CYP11B2

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-11873407-B2 Diketopyrrolopyrrole pigment compound having high weathering resistance and preparation method therof CINIC CHEMICALS (SHANGHAI) CO., LTD. (CN) 2024-01-16 US claimed
US-11873407-B2 Diketopyrrolopyrrole pigment compound having high weathering resistance and preparation method therof CINIC CHEMICALS (SHANGHAI) CO., LTD. (CN) 2024-01-16 US disclosed
US-20210179855-A1 DIKETOPYRROLOPYRROLE PIGMENT COMPOUND HAVING HIGH WEATHERING RESISTANCE, PREPARATION METHOD THERFOR, AND USE THEROF CINIC CHEMICALS (SHANGHAI) CO., LTD. (CN) 2021-06-17 US disclosed
EP-3733783-A1 DIKETOPYRROLOPYRROLE PIGMENT COMPOUND HAVING HIGH WEATHER RESISTANCE, PREPARATION METHOD THEREFOR AND USE THEREOF Cinic Chemicals Shanghai Co. Ltd. (CN) 2020-11-04 EP disclosed